(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide

C19H17NO3 — CID 7465050

IUPAC(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C19H17NO3/c1-22-17-7-4-6-16(12-17)20-19(21)10-9-14-11-15-5-2-3-8-18(15)23-13-14/h2-12H,13H2,1H3,(H,20,21)/b10-9+
InChIKeyZJVHUROVRWZZTA-MDZDMXLPSA-N
MW307.35 g/mol
LogP3.67
Rot. Bonds4

About (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide

(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide (PubChem CID 7465050) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide
PubChem CID7465050
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1
InChIInChI=1S/C19H17NO3/c1-22-17-7-4-6-16(12-17)20-19(21)10-9-14-11-15-5-2-3-8-18(15)23-13-14/h2-12H,13H2,1H3,(H,20,21)/b10-9+
InChIKeyZJVHUROVRWZZTA-MDZDMXLPSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(3-chlorophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
CID 7465060
(E)-3-(2H-chromen-3-yl)-N-(2-methoxyphenyl)prop-2-enamide
CID 7465051
(E)-N-(4-acetamidophenyl)-3-(2H-chromen-3-yl)prop-2-enamide
CID 7465096
3-(2H-chromen-3-yl)prop-2-enoic acid
CID 53405773
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2H-chromene-3-carboxamide
CID 34778072
(E)-3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 6146604
N-(3-methoxyphenyl)-3-phenoxyprop-2-enamide
CID 69127158
3-[[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]amino]-N,N-diethylbenzamide
CID 26787994
2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3413502
(E)-3-(6-chloro-2H-chromen-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 26719417
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide (CID 7465050) is (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide is COc1cccc(NC(=O)/C=C/C2=Cc3ccccc3OC2)c1.
What is the InChIKey of (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is ZJVHUROVRWZZTA-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-17-7-4-6-16(12-17)20-19(21)10-9-14-11-15-5-2-3-8-18(15)23-13-14/h2-12H,13H2,1H3,(H,20,21)/b10-9+.
What are the key properties of (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide?
(E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2H-chromen-3-yl)-N-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7465050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).